From 97b1cf6fec1f464ada7902f58c1cc9ff3d99b04f Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 22 Apr 2015 20:45:55 +0200
Subject: [PATCH] throw some error
---
modules/mol/mm/src/forcefield.cc | 6 ++++++
1 file changed, 6 insertions(+)
diff --git a/modules/mol/mm/src/forcefield.cc b/modules/mol/mm/src/forcefield.cc
index 3a4b15aa4..c4896948f 100644
--- a/modules/mol/mm/src/forcefield.cc
+++ b/modules/mol/mm/src/forcefield.cc
@@ -427,6 +427,12 @@ BlockModifierPtr Forcefield::GetBlockModifier(const String& modifier_name) const
String Forcefield::GetAtomType(const String& res_name, const String& atom_name) const{
BuildingBlockPtr block = this->GetBuildingBlock(res_name);
+ if(!block){
+ std::stringstream ss;
+ ss << "There is no building block for " << res_name;
+ ss << "in the forcefield!";
+ throw ost::Error(ss.str());
+ }
return block->GetType(atom_name);
}
--
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